SCHEMBL761417

SCHEMBL761417

O=C(NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.60
RXFP1 Q9HBX9 1/20 0.53
MAPT P10636 3/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
FFAR1 O14842 1/20 0.47
KIF11 P52732 1/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
MAPK14 Q16539 1/20 0.45
CCR1 P32246 1/20 0.44
MPO P05164 1/20 0.44
MLYCD O95822 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL761231 0.90 CETP (0.63) CETPRXFP1MAPTMEN1LMNA
SCHEMBL758325 0.85 CETP (0.57) CETPMAPTMEN1LMNAKMT2A
SCHEMBL757693 0.84 CETP (0.64) CETPRXFP1MAPTMEN1LMNA
SCHEMBL16315775 0.84 CETP (0.64) CETPRXFP1MAPTNPC1RAB9A
SCHEMBL14297922 0.83 P2RX1 (0.58) CETPMAPTMEN1LMNAKMT2A
SCHEMBL13093877 0.82 CETP (0.62) CETPMAPTLMNAMAPK14MLYCD
SCHEMBL760230 0.81 CETP (0.61) CETPRXFP1MAPTMAPK14MLYCD
SCHEMBL760896 0.81 CETP (0.67) CETPMEN1LMNAKMT2AGAA
SCHEMBL757662 0.81 CETP (0.52) CETPMEN1LMNAKMT2ANPC1
SCHEMBL1182786 0.81 CETP (0.82) CETPRXFP1MEN1LMNAKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642576-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-04 US disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 US disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
EP-1954668-B9 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-03-21 EP disclosed
EP-1954668-B1 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-09-28 EP disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CETP 1/4885RXFP1 3476/4885MAPT 4114/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CETP 1/4885RXFP1 3476/4885MAPT 4114/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CETP 1/4885RXFP1 3476/4885MAPT 4114/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.